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Naphtho[1,2-c]furan-3,9(1H,3aH)-dione, 5-(benzoyloxy)octahydro-6-(hydroxymethyl)-6,9a-dimethyl-, [3aS-(3a.alpha.,5.beta.,5a.alpha.,6.alpha.,9a.beta.,9b.alpha.)]-
SpectraBase Compound ID nGr0BeE8Kj
InChI InChI=1S/C22H26O6/c1-21(12-23)9-8-17(24)22(2)15-11-27-20(26)14(15)10-16(18(21)22)28-19(25)13-6-4-3-5-7-13/h3-7,14-16,18,23H,8-12H2,1-2H3/t14-,15-,16+,18-,21+,22-/m0/s1
InChIKey ZPUDPWIESRDICT-ZQQKTWFCSA-N
Mol Weight 386.44 g/mol
Molecular Formula C22H26O6
Exact Mass 386.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aQo2BRLxKo
Name Naphtho[1,2-c]furan-3,9(1H,3aH)-dione, 5-(benzoyloxy)octahydro-6-(hydroxymethyl)-6,9a-dimethyl-, [3aS-(3a.alpha.,5.beta.,5a.alpha.,6.alpha.,9a.beta.,9b.alpha.)]-
CAS Registry Number 79498-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O6
InChI InChI=1S/C22H26O6/c1-21(12-23)9-8-17(24)22(2)15-11-27-20(26)14(15)10-16(18(21)22)28-19(25)13-6-4-3-5-7-13/h3-7,14-16,18,23H,8-12H2,1-2H3/t14-,15-,16+,18-,21+,22-/m0/s1
InChIKey ZPUDPWIESRDICT-ZQQKTWFCSA-N
Molecular Weight 386.444 g/mol
SMILES OC[C@@]1([C@]2([C@@]([C@@]3([C@](C(=O)OC3)([H])C[C@]2(OC(=O)c2ccccc2)[H])[H])(C(CC1)=O)C)[H])C
SPLASH splash10-0a4i-0930000000-692f83f13a020c89b441
Source of Spectrum F-37-1993-0
Synonyms (3aS,5R,5aS,6S,9aR,9bS)-6-(hydroxymethyl)-6,9a-dimethyl-3,9-dioxododecahydronaphtho[1,2-c]furan-5-yl benzoate [1-oxo-4,8a-dimethyl-5-benzyloxy-4-hydroxymethyl perhydro naphtho]tetrahydrofura
Wiley ID 1362704